5-butyl-3-hexan-3-yl-2-thiophen-3-ylimidazolidin-4-one

C17H28N2OS — CID 83251878

IUPAC5-butyl-3-hexan-3-yl-2-thiophen-3-ylimidazolidin-4-one
SMILESCCCCC1NC(c2ccsc2)N(C(CC)CCC)C1=O
InChIInChI=1S/C17H28N2OS/c1-4-7-9-15-17(20)19(14(6-3)8-5-2)16(18-15)13-10-11-21-12-13/h10-12,14-16,18H,4-9H2,1-3H3
InChIKeyCQLLBUQUGOBCEE-UHFFFAOYSA-N
MW308.49 g/mol
LogP4.32
Rot. Bonds8

About 5-butyl-3-hexan-3-yl-2-thiophen-3-ylimidazolidin-4-one

5-butyl-3-hexan-3-yl-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83251878) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is 5-butyl-3-hexan-3-yl-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-hexan-3-yl-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83251878
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC Name5-butyl-3-hexan-3-yl-2-thiophen-3-ylimidazolidin-4-one
SMILESCCCCC1NC(c2ccsc2)N(C(CC)CCC)C1=O
InChIInChI=1S/C17H28N2OS/c1-4-7-9-15-17(20)19(14(6-3)8-5-2)16(18-15)13-10-11-21-12-13/h10-12,14-16,18H,4-9H2,1-3H3
InChIKeyCQLLBUQUGOBCEE-UHFFFAOYSA-N
XLogP4.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butyl-3-pentan-3-yl-2-thiophen-3-ylimidazolidin-4-one
CID 83243016
5-butyl-3-(3,3-dimethylbutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 104830760
3-(1-methoxybutan-2-yl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83263488
5-ethyl-3-hexan-2-yl-2-thiophen-3-ylimidazolidin-4-one
CID 83252367
5-ethyl-3-pentan-2-yl-2-thiophen-3-ylimidazolidin-4-one
CID 83240083
5-butyl-3-[2-(dimethylamino)propyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83252274
5-butyl-3-cyclopentyl-2-thiophen-3-ylimidazolidin-4-one
CID 83242915
3-[4-(dimethylamino)butan-2-yl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83253318
5-butyl-3-(2,2-dimethylbutyl)-2-thiophen-3-ylimidazolidin-4-one
CID 103466816
5-butyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one
CID 83245916
5-ethyl-3-(3-methylpentan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83248366
5-butyl-3-(4-methoxybutyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83248664

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-hexan-3-yl-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 5-butyl-3-hexan-3-yl-2-thiophen-3-ylimidazolidin-4-one (CID 83251878) is 5-butyl-3-hexan-3-yl-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 5-butyl-3-hexan-3-yl-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 5-butyl-3-hexan-3-yl-2-thiophen-3-ylimidazolidin-4-one is CCCCC1NC(c2ccsc2)N(C(CC)CCC)C1=O.
What is the InChIKey of 5-butyl-3-hexan-3-yl-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is CQLLBUQUGOBCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-4-7-9-15-17(20)19(14(6-3)8-5-2)16(18-15)13-10-11-21-12-13/h10-12,14-16,18H,4-9H2,1-3H3.
What are the key properties of 5-butyl-3-hexan-3-yl-2-thiophen-3-ylimidazolidin-4-one?
5-butyl-3-hexan-3-yl-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 308.49 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-hexan-3-yl-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83251878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).